Geometry & MOs

Info

ID:	336578
PubChem CID:	127255585
Reduced:	NO3C10H18 (2)
Stoich.:	AB3C10D18 (2)
Weight, g/mol:	746.316743
ΔH_f, kcal/mol:	-337.86
Dipole, Da:	6.86
IP(EA), eV:	-9.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[(2R)-2-[(S)-(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-4-[2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(CC)[C@@H]([C@@H]1[C@H](C[C@H]([C@@H]1O)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(CC)[C@@H]([C@@H]1[C@H](C[C@H]([C@@H]1O)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):